Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50007992 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069968
(CHEMBL104209 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069950
(CHEMBL321060 | Sodium; 9-fluoro-3-o-tolyl-5,6-dihy...)Show SMILES Cc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069959
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069939
(CHEMBL106467 | Sodium; 9-fluoro-3-p-tolyl-6H-thioc...)Show SMILES Cc1ccc(cc1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069951
(CHEMBL104302 | Sodium; 9-fluoro-3-phenyl-6H-thioch...)Show SMILES [O-]C(=O)c1c2CSc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO2S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069943
(CHEMBL106515 | Sodium; 9-fluoro-3-(2-methoxy-pheny...)Show SMILES COc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-22-5-3-2-4-17(22)14-6-9-18-15(12-14)7-10-19-23(25(28)29)20-13-16(26)8-11-21(20)27-24(18)19/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069948
(CHEMBL107209 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-18-4-2-3-14(12-18)15-5-8-19-16(11-15)6-9-20-23(25(28)29)21-13-17(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069958
(CHEMBL104146 | Sodium; 9-fluoro-3-o-tolyl-5H-6-thi...)Show SMILES Cc1ccccc1-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-17(13)14-6-8-18-15(10-14)12-29-23-21(24(27)28)19-11-16(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069941
(CHEMBL321163 | Sodium; 9-fluoro-3-o-tolyl-6H-thioc...)Show SMILES Cc1ccccc1-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-16(13)14-6-8-17-21(10-14)29-12-19-22(24(27)28)18-11-15(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069971
(CHEMBL105175 | Sodium; 3-phenyl-9-trifluoromethyl-...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(cc12)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C25H16F3NO2/c26-25(27,28)17-8-11-21-20(13-17)22(24(30)31)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)29-21/h1-6,8-9,11-13H,7,10H2,(H,30,31)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069940
(CHEMBL320204 | Sodium; 9-fluoro-3-(2-fluoro-phenyl...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1F Show InChI InChI=1S/C24H15F2NO2/c25-15-7-10-21-19(12-15)22(24(28)29)18-9-6-14-11-13(5-8-17(14)23(18)27-21)16-3-1-2-4-20(16)26/h1-5,7-8,10-12H,6,9H2,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069960
(CHEMBL104136 | Sodium; 9-fluoro-3-m-tolyl-6H-thioc...)Show SMILES Cc1cccc(c1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)6-8-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069949
(CHEMBL322274 | Sodium; 9-fluoro-3-(2-trifluorometh...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C25H15F4NO2/c26-15-7-10-21-19(12-15)22(24(31)32)18-9-6-14-11-13(5-8-17(14)23(18)30-21)16-3-1-2-4-20(16)25(27,28)29/h1-5,7-8,10-12H,6,9H2,(H,31,32)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069944
(CHEMBL106865 | Sodium; 9-fluoro-3-p-tolyl-5,6-dihy...)Show SMILES Cc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20-23(25(28)29)21-13-18(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069966
(CHEMBL104824 | Sodium; 9-fluoro-3-(3-trifluorometh...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H15F4NO2/c26-17-6-9-21-20(12-17)22(24(31)32)19-8-5-15-10-14(4-7-18(15)23(19)30-21)13-2-1-3-16(11-13)25(27,28)29/h1-4,6-7,9-12H,5,8H2,(H,31,32)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069957
(CHEMBL107642 | Sodium; 9-fluoro-3-phenyl-6H-chrome...)Show SMILES [O-]C(=O)c1c2COc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO3/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069970
(CHEMBL107224 | Sodium; 9-fluoro-3-thiophen-3-yl-5,...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccsc1 Show InChI InChI=1S/C22H14FNO2S/c23-15-3-6-19-18(10-15)20(22(25)26)17-5-2-13-9-12(14-7-8-27-11-14)1-4-16(13)21(17)24-19/h1,3-4,6-11H,2,5H2,(H,25,26)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069947
(CHEMBL441276 | Sodium; 9-fluoro-3-(4-methoxy-pheny...)Show SMILES COc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-18-7-2-14(3-8-18)15-4-9-19-16(12-15)5-10-20-23(25(28)29)21-13-17(26)6-11-22(21)27-24(19)20/h2-4,6-9,11-13H,5,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069961
(CHEMBL104766 | Sodium; 9-fluoro-3-m-tolyl-5,6-dihy...)Show SMILES Cc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-3-2-4-15(11-14)16-5-8-19-17(12-16)6-9-20-23(25(28)29)21-13-18(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069973
(CHEMBL104167 | Sodium; 9-fluoro-3-m-tolyl-5,6-dihy...)Show SMILES Cc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)n1 Show InChI InChI=1S/C24H17FN2O2/c1-13-3-2-4-14(11-13)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-15(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069946
(CHEMBL108213 | Sodium; 9-fluoro-3-m-tolyl-5H-6-thi...)Show SMILES Cc1cccc(c1)-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-18-16(10-15)12-29-23-21(24(27)28)19-11-17(25)6-8-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069952
(CHEMBL108327 | Sodium; 9-fluoro-5,5-dioxo-3-phenyl...)Show SMILES [O-]C(=O)c1c2CS(=O)(=O)c3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO4S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-30(28,29)20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069945
(CHEMBL106529 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)n1 Show InChI InChI=1S/C24H17FN2O3/c1-30-15-4-2-3-13(11-15)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-14(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069972
(CHEMBL320245 | Sodium; 9-fluoro-3-phenyl-5H-6-thia...)Show SMILES [O-]C(=O)c1c2SCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO2S/c24-16-7-9-19-18(11-16)20(23(26)27)22-21(25-19)17-8-6-14(10-15(17)12-28-22)13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069942
(CHEMBL107417 | Sodium; 9-fluoro-3-thiazol-2-yl-5,6...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1nccs1 Show InChI InChI=1S/C21H13FN2O2S/c22-13-3-6-17-16(10-13)18(21(25)26)15-5-1-11-9-12(20-23-7-8-27-20)2-4-14(11)19(15)24-17/h2-4,6-10H,1,5H2,(H,25,26)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069962
(CHEMBL322855 | Sodium; 8-fluoro-2-phenyl-4,5-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3cc(sc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C22H14FNO2S/c23-14-7-9-17-16(11-14)19(22(25)26)15-8-6-13-10-18(12-4-2-1-3-5-12)27-21(13)20(15)24-17/h1-5,7,9-11H,6,8H2,(H,25,26)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069963
(CHEMBL326692 | Sodium; 9-fluoro-3-furan-3-yl-5,6-d...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccoc1 Show InChI InChI=1S/C22H14FNO3/c23-15-3-6-19-18(10-15)20(22(25)26)17-5-2-13-9-12(14-7-8-27-11-14)1-4-16(13)21(17)24-19/h1,3-4,6-11H,2,5H2,(H,25,26)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069969
(CHEMBL318798 | Sodium; 9-fluoro-3-phenyl-5H-6-oxa-...)Show SMILES [O-]C(=O)c1c2OCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO3/c24-16-7-9-19-18(11-16)20(23(26)27)22-21(25-19)17-8-6-14(10-15(17)12-28-22)13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >204 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069964
(CHEMBL324668 | Sodium; 9-fluoro-5-oxo-3-phenyl-5,6...)Show SMILES [O-]C(=O)c1c2CS(=O)c3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO3S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-29(28)20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 206 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069967
(CHEMBL106674 | Sodium; 9-fluoro-3-p-tolyl-5H-6-thi...)Show SMILES Cc1ccc(cc1)-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-18-16(10-15)12-29-23-21(24(27)28)19-11-17(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069965
(CHEMBL106930 | Sodium; 9-fluoro-4-phenyl-5,6-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3c(cccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-15-9-12-21-20(13-15)22(24(27)28)19-11-10-17-16(14-5-2-1-3-6-14)7-4-8-18(17)23(19)26-21/h1-9,12-13H,10-11H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069953
(CHEMBL107362 | Sodium; 9-fluoro-3-(4-trifluorometh...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H15F4NO2/c26-17-7-10-21-20(12-17)22(24(31)32)19-9-4-15-11-14(3-8-18(15)23(19)30-21)13-1-5-16(6-2-13)25(27,28)29/h1-3,5-8,10-12H,4,9H2,(H,31,32)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069974
(CHEMBL322100 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3nc(ncc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C22H14FN3O2/c23-13-6-8-17-15(10-13)19(22(27)28)14-7-9-18-16(20(14)25-17)11-24-21(26-18)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069954
(CHEMBL104001 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3nc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H15FN2O2/c24-14-6-9-20-17(12-14)21(23(27)28)16-8-11-19-15(22(16)26-20)7-10-18(25-19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 409 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069956
(CHEMBL322929 | Sodium; 9-fluoro-4-phenoxy-5,6-dihy...)Show SMILES [O-]C(=O)c1c2CCc3c(Oc4ccccc4)cccc3-c2nc2ccc(F)cc12 Show InChI InChI=1S/C24H16FNO3/c25-14-9-12-20-19(13-14)22(24(27)28)18-11-10-16-17(23(18)26-20)7-4-8-21(16)29-15-5-2-1-3-6-15/h1-9,12-13H,10-11H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 962 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069955
(CHEMBL104712 | Sodium; 9-fluoro-2-phenyl-5,6-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3ccc(cc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-17-9-11-21-20(13-17)22(24(27)28)18-10-8-15-6-7-16(12-19(15)23(18)26-21)14-4-2-1-3-5-14/h1-7,9,11-13H,8,10H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
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